SCHEMBL4602830

SCHEMBL4602830

C#CCOc1c(F)cc(C(=O)NC2CCCC2)c(CC)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 8/20 0.38
CNR1 P21554 7/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
DHODH Q02127 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
ABHD12 Q8N2K0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4603892 0.98 HPGD (0.41) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4603371 0.96 HPGD (0.42) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4603936 0.89 ALDH1A1 (0.49) HPGDRAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL4602096 0.87 ALDH1A1 (0.46) HPGDRAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL4603506 0.82 HPGD (0.45) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4603541 0.80 ALDH1A1 (0.48) HPGDRAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL4602587 0.80 HPGD (0.42) HPGDRAB9ANPC1ALDH1A1CNR2
SCHEMBL4248764 0.79 MEN1 (0.46) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4252966 0.78 MEN1 (0.48) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4241570 0.77 MEN1 (0.51) HPGDRAB9ASMN1; SMN2NPC1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed